#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8y s LEU 12 N 0.00 3.76 0.32 2.46 1.43 -1.26 -4.96 118.68 120.43 1u8y s LEU 12 Ca 0.00 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 1u8y s LEU 12 Cb 0.00 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 1u8y s LEU 12 CO 0.00 -1.41 1.27 0.00 0.23 0.00 0.00 176.35 176.43 1u8y s ALA 13 N -1.58 3.48 -0.16 4.21 0.00 -1.26 -4.84 121.76 121.60 1u8y s ALA 13 Ca 0.74 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.90 1u8y s ALA 13 Cb -0.30 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1u8y s ALA 13 CO 0.34 -0.54 -0.20 -1.17 0.00 0.00 0.00 175.76 174.18 1u8y s LEU 14 N -1.69 2.15 -0.29 0.00 2.96 -1.26 -0.31 118.68 120.23 1u8y s LEU 14 Ca 0.48 -0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1u8y s LEU 14 Cb -0.38 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1u8y s LEU 14 CO 0.50 0.04 0.08 -1.00 -1.32 0.00 0.00 176.35 174.65 1u8y s HIS 15 N 1.07 3.14 -0.46 5.38 3.76 0.34 -4.99 115.29 123.52 1u8y s HIS 15 Ca -0.01 -0.94 -0.19 0.00 -0.15 0.00 0.00 55.06 53.77 1u8y s HIS 15 Cb -0.14 -2.25 0.04 0.00 1.11 0.00 0.00 32.58 31.34 1u8y s HIS 15 CO -0.08 -0.56 0.55 0.15 -0.85 0.00 0.00 174.74 173.95 1u8y s LYS 16 N 1.51 3.14 -0.09 1.40 1.02 -1.26 -0.94 119.74 124.52 1u8y s LYS 16 Ca 0.03 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 1u8y s LYS 16 Cb -0.17 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.08 1u8y s LYS 16 CO 0.02 -1.04 -0.00 0.08 -0.92 0.00 0.00 175.35 173.49 1u8y s VAL 17 N 2.44 4.29 -0.10 3.17 1.01 0.81 -0.77 120.40 131.25 1u8y s VAL 17 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1u8y s VAL 17 Cb -0.18 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1u8y s VAL 17 CO 0.14 0.60 -0.18 -0.63 0.00 0.00 0.00 175.10 175.03 1u8y s ILE 18 N -0.85 1.64 -0.14 2.22 1.01 -0.39 -0.94 121.20 123.75 1u8y s ILE 18 Ca 0.13 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 1u8y s ILE 18 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1u8y s ILE 18 CO 0.02 0.47 0.49 -0.04 0.00 0.00 0.00 174.94 175.88 1u8y s MET 19 N 0.68 4.29 0.12 2.79 -1.94 -0.23 -1.69 119.30 123.32 1u8y s MET 19 Ca -0.13 0.44 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 1u8y s MET 19 Cb -0.16 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 1u8y s MET 19 CO 0.03 0.06 -0.09 0.14 -0.01 0.00 0.00 175.02 175.14 1u8y s VAL 20 N 0.96 0.98 0.00 -6.03 -7.23 -0.64 -3.29 120.40 105.14 1u8y s VAL 20 Ca 0.25 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1u8y s VAL 20 Cb -0.15 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1u8y s VAL 20 CO 0.10 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 1u8y n GLY 21 N 0.17 3.78 3.64 2.32 0.00 -1.26 -0.87 105.19 112.96 1u8y n GLY 21 Ca -0.13 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 1u8y n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u8y s SER 22 N 0.00 2.18 0.35 1.61 1.04 -1.26 -3.84 113.70 113.78 1u8y s SER 22 Ca 0.00 1.20 -0.29 0.00 0.48 0.00 0.00 55.95 57.34 1u8y s SER 22 Cb 0.00 -1.88 -0.11 0.00 0.10 0.00 0.00 66.02 64.13 1u8y s SER 22 CO 0.00 -3.41 1.53 -0.83 0.98 0.00 0.00 173.24 171.51 1u8y s GLY 23 N -3.31 2.68 -0.01 7.32 0.00 -1.26 -3.40 107.32 109.34 1u8y s GLY 23 Ca 0.66 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.98 1u8y s GLY 23 CO 0.59 2.38 0.00 0.61 0.00 0.00 0.00 173.10 176.67 1u8y n GLY 24 N 0.96 0.36 0.21 0.20 0.00 -1.26 -4.91 105.19 100.75 1u8y n GLY 24 Ca 0.03 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1u8y n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1u8y h VAL 25 N 0.00 0.00 0.00 1.61 -1.51 -1.93 -3.47 116.25 110.95 1u8y h VAL 25 Ca -0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1u8y h VAL 25 Cb 0.30 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1u8y h VAL 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1u8y n GLY 26 N 0.86 1.71 0.17 5.19 0.00 -1.26 -4.54 105.19 107.31 1u8y n GLY 26 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1u8y n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8y h LYS 27 N 0.14 0.28 -0.27 1.61 1.57 -1.91 -0.83 116.57 117.16 1u8y h LYS 27 Ca 0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1u8y h LYS 27 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1u8y h LYS 27 CO 0.00 0.19 -0.17 0.77 -0.57 0.00 0.00 179.45 179.67 1u8y h SER 28 N 0.29 0.61 -0.97 0.86 0.02 -1.93 -2.24 113.55 110.18 1u8y h SER 28 Ca 0.19 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1u8y h SER 28 Cb 0.19 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1u8y h SER 28 CO -0.20 0.91 0.64 0.00 -1.14 0.00 0.00 176.83 177.04 1u8y h ALA 29 N 0.72 1.25 -0.44 3.77 0.00 -1.86 0.82 119.26 123.52 1u8y h ALA 29 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1u8y h ALA 29 Cb 0.70 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u8y h ALA 29 CO 0.05 0.60 0.12 -0.07 0.00 0.00 0.00 179.25 179.95 1u8y h LEU 30 N 1.29 0.65 -0.36 0.00 3.38 -1.11 -0.97 115.31 118.19 1u8y h LEU 30 Ca 0.36 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1u8y h LEU 30 Cb -0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1u8y h LEU 30 CO -0.09 0.69 0.21 0.74 0.09 0.00 0.00 178.44 180.09 1u8y h THR 31 N 0.57 1.12 -0.31 0.22 2.02 -0.74 -1.12 112.91 114.66 1u8y h THR 31 Ca 0.14 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1u8y h THR 31 Cb 0.29 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1u8y h THR 31 CO -0.00 0.12 -0.20 -0.07 0.37 0.00 0.00 175.52 175.75 1u8y h LEU 32 N 0.46 0.57 -0.32 2.58 3.38 -0.74 0.74 115.31 121.98 1u8y h LEU 32 Ca 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1u8y h LEU 32 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1u8y h LEU 32 CO -0.02 0.78 0.01 -0.61 0.09 0.00 0.00 178.44 178.68 1u8y h GLN 33 N 0.52 0.56 -0.29 1.13 5.75 -0.95 0.21 115.11 122.04 1u8y h GLN 33 Ca 0.08 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1u8y h GLN 33 Cb 0.63 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1u8y h GLN 33 CO 0.04 0.68 0.01 0.35 -2.65 0.00 0.00 178.83 177.27 1u8y h PHE 34 N 0.36 0.54 -0.15 3.99 3.57 -0.94 0.36 116.94 124.68 1u8y h PHE 34 Ca 0.09 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1u8y h PHE 34 Cb 0.42 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1u8y h PHE 34 CO 0.03 0.63 -0.11 0.52 -2.23 0.00 0.00 178.31 177.16 1u8y h MET 35 N 0.30 0.33 -0.00 1.11 2.86 -0.79 -3.39 114.93 115.35 1u8y h MET 35 Ca 0.08 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1u8y h MET 35 Cb 0.40 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1u8y h MET 35 CO 0.01 0.69 0.00 0.66 1.06 0.00 0.00 176.91 179.33 1u8y n TYR 36 N -4.60 0.00 -3.67 -0.22 4.02 0.73 -5.02 117.16 108.39 1u8y n TYR 36 Ca -0.06 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.90 57.56 1u8y n TYR 36 Cb 0.33 -0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.71 1u8y n TYR 36 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1u8y n ASP 37 N 0.01 -6.02 -4.03 7.72 8.00 0.12 -4.99 116.55 117.36 1u8y n ASP 37 Ca 0.00 -0.60 -0.08 0.00 0.71 0.00 0.00 54.79 54.82 1u8y n ASP 37 Cb 0.02 -4.75 -0.11 0.00 -0.02 0.00 0.00 41.12 36.26 1u8y n ASP 37 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1u8y s GLU 38 N -6.39 0.44 -0.08 -1.24 0.41 -1.25 -5.02 118.70 105.57 1u8y s GLU 38 Ca 0.61 -0.87 -0.03 0.00 -0.41 0.00 0.00 54.97 54.27 1u8y s GLU 38 Cb -0.28 0.14 0.04 0.00 -1.78 0.00 0.00 34.13 32.26 1u8y s GLU 38 CO 0.75 -0.07 0.16 0.12 -0.49 0.00 0.00 175.26 175.72 1u8y s PHE 39 N -2.50 -0.18 -0.23 1.61 5.36 -1.26 -3.52 117.98 117.26 1u8y s PHE 39 Ca -0.06 0.56 0.02 0.00 -0.96 0.00 0.00 56.93 56.49 1u8y s PHE 39 Cb -0.02 -0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.53 1u8y s PHE 39 CO -0.05 -0.23 -0.11 0.08 -1.46 0.00 0.00 175.22 173.46 1u8y s VAL 40 N 1.81 1.91 0.41 3.12 1.01 -1.26 -5.10 120.40 122.30 1u8y s VAL 40 Ca -0.02 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.36 1u8y s VAL 40 Cb -0.12 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 1u8y s VAL 40 CO -0.06 0.06 1.39 1.21 0.00 0.00 0.00 175.10 177.71 1u8y n GLU 41 N 4.56 2.28 -0.29 2.72 4.07 -1.26 -1.72 120.64 130.99 1u8y n GLU 41 Ca -0.15 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 1u8y n GLU 41 Cb 0.44 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 1u8y n GLU 41 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1u8y n ASP 42 N 0.19 0.00 -4.73 4.31 8.00 -1.26 -4.98 116.55 118.09 1u8y n ASP 42 Ca 0.04 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 1u8y n ASP 42 Cb 0.40 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 1u8y n ASP 42 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1u8y s TYR 43 N -2.59 3.71 -0.16 1.24 5.04 -0.70 -5.04 117.35 118.84 1u8y s TYR 43 Ca 0.00 1.58 -0.03 0.00 -2.44 0.00 0.00 57.07 56.18 1u8y s TYR 43 Cb 0.00 -2.96 0.05 0.00 0.35 0.00 0.00 41.96 39.40 1u8y s TYR 43 CO 0.00 0.15 0.03 -1.21 -1.34 0.00 0.00 175.55 173.17 1u8y s GLU 44 N 0.40 0.63 0.51 4.97 2.02 -1.26 -4.92 118.70 121.05 1u8y s GLU 44 Ca 0.44 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 54.94 1u8y s GLU 44 Cb -0.21 -1.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 1u8y s GLU 44 CO 0.25 -0.56 1.13 -1.25 0.02 0.00 0.00 175.26 174.86 1u8y s PRO 45 N 1.90 3.50 -0.01 0.39 0.04 -1.26 -4.97 135.00 134.58 1u8y s PRO 45 Ca 0.01 1.65 0.19 0.00 0.04 0.00 0.00 61.00 62.88 1u8y s PRO 45 Cb -0.16 -2.13 -0.23 0.00 0.04 0.00 0.00 34.50 32.02 1u8y s PRO 45 CO -0.07 -0.74 0.67 0.25 0.04 0.00 0.00 177.00 177.15 1u8y n THR 46 N -1.04 0.00 -1.70 1.26 -2.24 -1.26 -4.98 114.28 104.32 1u8y n THR 46 Ca 0.10 -0.18 -0.55 0.00 -2.27 0.00 0.00 64.05 61.15 1u8y n THR 46 Cb 0.50 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 1u8y n THR 46 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1u8y n LYS 47 N -1.67 1.46 -0.00 -0.78 4.81 -1.26 -4.86 118.16 115.85 1u8y n LYS 47 Ca 0.01 0.53 0.08 0.00 -0.87 0.00 0.00 58.31 58.07 1u8y n LYS 47 Cb 0.36 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.04 1u8y n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u8y n ALA 48 N 5.79 4.08 -2.28 3.14 0.00 -1.26 -4.90 120.51 125.09 1u8y n ALA 48 Ca 0.25 -0.49 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 1u8y n ALA 48 Cb 0.18 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 1u8y n ALA 48 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1u8y s ASP 49 N -2.84 5.72 0.68 0.00 3.84 -1.26 -4.83 116.67 117.98 1u8y s ASP 49 Ca 0.05 -0.35 -0.17 0.00 -0.00 0.00 0.00 52.55 52.08 1u8y s ASP 49 Cb 0.13 -0.94 0.01 0.00 -1.38 0.00 0.00 42.92 40.74 1u8y s ASP 49 CO 0.72 -0.57 1.27 -0.94 -0.00 0.00 0.00 175.17 175.66 1u8y s SER 50 N -4.22 4.43 -0.12 2.11 1.04 -1.26 -4.73 113.70 110.94 1u8y s SER 50 Ca 0.49 2.56 -0.17 0.00 0.48 0.00 0.00 55.95 59.32 1u8y s SER 50 Cb -0.09 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 1u8y s SER 50 CO 0.31 -2.12 0.42 -0.31 0.98 0.00 0.00 173.24 172.52 1u8y s TYR 51 N -1.55 3.51 -0.09 5.02 1.51 0.41 -4.87 117.35 121.29 1u8y s TYR 51 Ca 0.81 0.81 0.02 0.00 -1.01 0.00 0.00 57.07 57.70 1u8y s TYR 51 Cb -0.36 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1u8y s TYR 51 CO 0.42 0.22 -0.16 1.03 -1.11 0.00 0.00 175.55 175.95 1u8y s ARG 52 N 0.45 2.92 -0.16 -0.62 0.52 -1.26 -0.58 118.95 120.23 1u8y s ARG 52 Ca 0.23 -0.73 -0.25 0.00 -0.52 0.00 0.00 55.73 54.46 1u8y s ARG 52 Cb -0.15 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 32.93 1u8y s ARG 52 CO 0.09 0.39 0.63 0.21 0.02 0.00 0.00 175.30 176.63 1u8y s LYS 53 N -0.12 0.85 -0.21 3.54 2.20 -0.87 -5.02 119.74 120.12 1u8y s LYS 53 Ca -0.02 0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 56.02 1u8y s LYS 53 Cb -0.14 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 1u8y s LYS 53 CO 0.04 -0.18 0.36 0.21 -0.36 0.00 0.00 175.35 175.42 1u8y s LYS 54 N -0.33 4.15 0.28 4.03 2.20 -1.26 -0.54 119.74 128.27 1u8y s LYS 54 Ca -0.05 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 1u8y s LYS 54 Cb -0.03 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 1u8y s LYS 54 CO 0.04 -0.03 0.04 0.14 -0.36 0.00 0.00 175.35 175.18 1u8y s VAL 55 N 1.30 1.04 -0.27 4.02 -7.23 0.45 -4.96 120.40 114.75 1u8y s VAL 55 Ca 0.17 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1u8y s VAL 55 Cb -0.15 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1u8y s VAL 55 CO 0.07 -0.11 0.11 -0.69 -0.31 0.00 0.00 175.10 174.17 1u8y s VAL 56 N -3.41 4.59 -0.31 1.32 1.01 -1.26 -0.40 120.40 121.94 1u8y s VAL 56 Ca 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1u8y s VAL 56 Cb 0.07 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1u8y s VAL 56 CO 0.13 0.27 0.02 -0.22 0.00 0.00 0.00 175.10 175.30 1u8y s LEU 57 N 1.65 4.08 -1.34 3.92 2.96 0.10 -4.73 118.68 125.33 1u8y s LEU 57 Ca 0.06 -1.43 -0.03 0.00 -0.22 0.00 0.00 54.13 52.51 1u8y s LEU 57 Cb -0.16 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1u8y s LEU 57 CO 0.06 -0.30 0.55 0.47 -1.32 0.00 0.00 176.35 175.81 1u8y n ASP 58 N 4.58 -1.26 0.00 3.68 8.00 -1.26 -1.44 116.55 128.85 1u8y n ASP 58 Ca -0.11 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1u8y n ASP 58 Cb 0.43 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 1u8y n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8y n GLY 59 N -1.82 2.96 3.73 0.44 0.00 -1.26 -5.01 105.19 104.23 1u8y n GLY 59 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1u8y n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u8y s GLU 60 N -0.20 3.95 -0.06 1.61 2.12 -0.52 -5.06 118.70 120.54 1u8y s GLU 60 Ca 0.00 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 1u8y s GLU 60 Cb 0.00 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1u8y s GLU 60 CO 0.00 0.39 1.15 -1.21 -0.54 0.00 0.00 175.26 175.05 1u8y s GLU 61 N 0.06 4.38 0.18 4.30 2.02 -1.26 0.02 118.70 128.41 1u8y s GLU 61 Ca 0.08 1.60 0.02 0.00 0.02 0.00 0.00 54.97 56.69 1u8y s GLU 61 Cb -0.12 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 1u8y s GLU 61 CO -0.00 -0.39 0.00 0.14 0.02 0.00 0.00 175.26 175.03 1u8y s VAL 62 N 2.07 0.73 -0.13 2.63 -7.23 0.47 -4.55 120.40 114.40 1u8y s VAL 62 Ca 0.54 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1u8y s VAL 62 Cb -0.23 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1u8y s VAL 62 CO 0.21 -0.44 -0.05 -1.58 -0.31 0.00 0.00 175.10 172.93 1u8y s GLN 63 N -3.91 3.36 0.05 4.82 0.74 0.57 -0.41 119.66 124.88 1u8y s GLN 63 Ca 0.25 -0.53 0.06 0.00 0.05 0.00 0.00 55.36 55.19 1u8y s GLN 63 Cb 0.06 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 1u8y s GLN 63 CO 0.05 0.39 -0.12 -1.50 -0.55 0.00 0.00 175.29 173.56 1u8y s ILE 64 N -0.04 3.26 -0.14 -2.34 2.07 0.30 -0.51 121.20 123.80 1u8y s ILE 64 Ca 0.01 -1.07 -0.00 0.00 -1.41 0.00 0.00 60.65 58.18 1u8y s ILE 64 Cb -0.13 -2.44 0.03 0.00 0.13 0.00 0.00 42.46 40.06 1u8y s ILE 64 CO 0.03 0.29 -0.06 -0.62 -1.91 0.00 0.00 174.94 172.67 1u8y s ASP 65 N -1.66 2.53 -0.24 4.50 2.15 -0.11 -2.05 116.67 121.79 1u8y s ASP 65 Ca 0.17 -0.50 -0.02 0.00 0.43 0.00 0.00 52.55 52.64 1u8y s ASP 65 Cb -0.11 -0.87 0.02 0.00 -0.30 0.00 0.00 42.92 41.66 1u8y s ASP 65 CO 0.09 -0.16 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.24 1u8y s ILE 66 N 1.67 2.91 -0.48 4.11 1.01 0.25 -0.14 121.20 130.54 1u8y s ILE 66 Ca 0.03 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1u8y s ILE 66 Cb -0.14 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.93 1u8y s ILE 66 CO -0.08 0.24 0.60 -0.22 0.00 0.00 0.00 174.94 175.47 1u8y s LEU 67 N 1.34 4.87 -1.15 2.97 2.96 -0.11 -0.44 118.68 129.12 1u8y s LEU 67 Ca 0.01 -0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 52.99 1u8y s LEU 67 Cb -0.16 -2.49 0.15 0.00 0.50 0.00 0.00 46.19 44.19 1u8y s LEU 67 CO -0.05 -0.82 1.39 -0.62 -1.32 0.00 0.00 176.35 174.94 1u8y s ASP 68 N 2.43 6.95 0.68 3.68 2.15 -1.26 -1.07 116.67 130.23 1u8y s ASP 68 Ca 0.16 -2.73 -0.12 0.00 0.43 0.00 0.00 52.55 50.29 1u8y s ASP 68 Cb -0.18 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1u8y s ASP 68 CO 0.13 -0.86 1.06 0.42 -0.17 0.00 0.00 175.17 175.76 1u8y s THR 69 N 2.07 3.88 0.23 1.71 -4.23 -1.21 -4.88 115.64 113.21 1u8y s THR 69 Ca 0.42 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.62 1u8y s THR 69 Cb -0.03 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1u8y s THR 69 CO -0.01 -0.73 0.39 0.00 -0.54 0.00 0.00 174.62 173.72 1u8y s ALA 70 N -2.87 3.86 0.33 3.99 0.00 -1.26 -4.83 121.76 120.97 1u8y s ALA 70 Ca 0.60 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1u8y s ALA 70 Cb -0.15 -1.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.96 1u8y s ALA 70 CO 0.51 0.32 1.51 0.20 0.00 0.00 0.00 175.76 178.30 1u8y s GLY 71 N -3.55 2.57 0.03 0.00 0.00 -1.25 -4.90 107.32 100.22 1u8y s GLY 71 Ca 0.37 1.53 -0.13 0.00 0.00 0.00 0.00 44.72 46.48 1u8y s GLY 71 CO 0.30 2.35 0.42 1.20 0.00 0.00 0.00 173.10 177.37 1u8y s GLN 72 N -1.31 3.88 0.73 2.90 -1.52 -1.26 -4.71 119.66 118.36 1u8y s GLN 72 Ca 0.57 0.36 -0.11 0.00 -1.95 0.00 0.00 55.36 54.23 1u8y s GLN 72 Cb -0.46 -3.14 0.03 0.00 -0.22 0.00 0.00 33.01 29.22 1u8y s GLN 72 CO 0.55 0.64 1.08 -1.21 -0.25 0.00 0.00 175.29 176.09 1u8y s GLU 73 N -1.38 2.69 0.51 2.91 0.41 -1.26 -4.89 118.70 117.68 1u8y s GLU 73 Ca 0.27 0.71 0.19 0.00 -0.41 0.00 0.00 54.97 55.73 1u8y s GLU 73 Cb -0.16 -1.98 1.27 0.00 -1.78 0.00 0.00 34.13 31.48 1u8y s GLU 73 CO 0.15 -1.21 2.06 -0.44 -0.49 0.00 0.00 175.26 175.33 1u8y h ASP 74 N -0.79 0.07 0.21 -0.19 3.45 -2.06 -1.43 116.42 115.69 1u8y h ASP 74 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1u8y h ASP 74 Cb 1.24 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1u8y h ASP 74 CO 0.60 0.05 -0.01 0.00 -1.57 0.00 0.00 179.24 178.31 1u8y n TYR 75 N -4.46 0.00 -4.44 4.55 0.18 -1.26 -4.89 117.16 106.84 1u8y n TYR 75 Ca 0.04 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.60 1u8y n TYR 75 Cb 0.34 -0.10 -0.10 0.00 -0.38 0.00 0.00 39.34 39.10 1u8y n TYR 75 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1u8y s ALA 76 N -2.22 2.43 0.04 -3.48 0.00 -0.54 -5.17 121.76 112.82 1u8y s ALA 76 Ca 0.40 -1.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.37 1u8y s ALA 76 Cb 0.21 0.79 0.09 0.00 0.00 0.00 0.00 23.12 24.21 1u8y s ALA 76 CO 0.41 -0.36 0.77 0.00 0.00 0.00 0.00 175.76 176.58 1u8y s ALA 77 N -3.36 -1.74 0.30 0.00 0.00 -1.26 -4.58 121.76 111.11 1u8y s ALA 77 Ca 0.32 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1u8y s ALA 77 Cb 0.06 0.45 -0.10 0.00 0.00 0.00 0.00 23.12 23.54 1u8y s ALA 77 CO 0.15 -0.65 1.34 0.42 0.00 0.00 0.00 175.76 177.01 1u8y s ILE 78 N -2.99 2.75 0.32 0.00 1.01 -1.26 -4.94 121.20 116.09 1u8y s ILE 78 Ca 0.01 0.71 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 1u8y s ILE 78 Cb -0.01 -3.45 -0.11 0.00 0.01 0.00 0.00 42.46 38.90 1u8y s ILE 78 CO -0.08 0.15 1.42 -0.13 0.00 0.00 0.00 174.94 176.30 1u8y s ARG 79 N -1.31 4.24 0.33 2.79 0.52 -1.26 -4.91 118.95 119.36 1u8y s ARG 79 Ca 0.52 2.37 0.04 0.00 -0.52 0.00 0.00 55.73 58.14 1u8y s ARG 79 Cb -0.40 -3.05 0.66 0.00 0.52 0.00 0.00 34.95 32.69 1u8y s ARG 79 CO 0.49 -0.39 1.90 -0.44 0.02 0.00 0.00 175.30 176.89 1u8y h ASP 80 N 3.84 0.78 -0.81 0.23 3.32 -2.00 -1.28 116.42 120.50 1u8y h ASP 80 Ca -0.49 0.02 0.08 0.00 0.02 0.00 0.00 57.03 56.66 1u8y h ASP 80 Cb 1.23 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1u8y h ASP 80 CO 0.70 0.46 0.53 0.78 -1.72 0.00 0.00 179.24 179.99 1u8y h ASN 81 N 0.87 0.75 0.16 6.45 2.35 -1.99 -0.18 115.58 123.97 1u8y h ASN 81 Ca 0.41 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 56.01 1u8y h ASN 81 Cb 0.41 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1u8y h ASN 81 CO -0.17 0.47 -0.56 1.88 -1.65 0.00 0.00 177.43 177.39 1u8y h TYR 82 N 0.84 0.53 -0.17 1.19 -1.99 -1.61 -2.35 116.97 113.42 1u8y h TYR 82 Ca 0.36 -0.19 -0.14 0.00 2.00 0.00 0.00 58.73 60.76 1u8y h TYR 82 Cb 0.31 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1u8y h TYR 82 CO -0.00 0.89 -0.48 0.74 -0.00 0.00 0.00 178.16 179.31 1u8y h PHE 83 N 0.32 0.54 -0.61 4.88 0.05 -1.15 -2.53 116.94 118.44 1u8y h PHE 83 Ca 0.00 -0.17 -0.02 0.00 3.82 0.00 0.00 57.97 61.60 1u8y h PHE 83 Cb 1.08 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.89 1u8y h PHE 83 CO 0.04 0.84 0.32 -0.09 -0.18 0.00 0.00 178.31 179.23 1u8y h ARG 84 N 0.35 0.87 0.00 1.51 1.12 -0.86 -2.54 114.38 114.83 1u8y h ARG 84 Ca 0.02 -0.11 -0.06 0.00 -1.11 0.00 0.00 59.98 58.72 1u8y h ARG 84 Cb 0.98 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.76 1u8y h ARG 84 CO 0.09 0.67 -0.27 0.66 -3.11 0.00 0.00 179.97 178.01 1u8y h SER 85 N 0.84 0.00 -3.77 -3.80 4.64 -1.34 -3.44 113.55 106.67 1u8y h SER 85 Ca 0.21 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.01 1u8y h SER 85 Cb 0.07 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1u8y h SER 85 CO -0.03 0.27 0.64 -0.83 -0.87 0.00 0.00 176.83 176.01 1u8y s GLY 86 N -4.31 2.88 -0.13 -0.77 0.00 -0.96 -4.90 107.32 99.13 1u8y s GLY 86 Ca 0.01 1.22 0.18 0.00 0.00 0.00 0.00 44.72 46.13 1u8y s GLY 86 CO 0.66 1.93 0.19 1.18 0.00 0.00 0.00 173.10 177.06 1u8y n GLU 87 N 1.18 0.85 -3.83 2.90 1.02 0.05 -4.99 120.64 117.83 1u8y n GLU 87 Ca 0.01 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 1u8y n GLU 87 Cb 0.42 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 1u8y n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1u8y s GLY 88 N -4.94 -0.02 -0.02 0.62 0.00 -0.75 -4.05 107.32 98.17 1u8y s GLY 88 Ca -0.08 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.64 1u8y s GLY 88 CO 0.78 -0.20 -0.14 -1.36 0.00 0.00 0.00 173.10 172.18 1u8y s PHE 89 N -1.70 1.31 -0.36 1.90 0.40 -0.42 -1.27 117.98 117.84 1u8y s PHE 89 Ca -0.12 -0.28 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 1u8y s PHE 89 Cb -0.05 -0.86 0.05 0.00 0.51 0.00 0.00 43.02 42.67 1u8y s PHE 89 CO 0.01 -0.06 0.15 -0.51 0.70 0.00 0.00 175.22 175.51 1u8y s LEU 90 N -0.19 4.59 -0.58 -0.37 1.43 -0.68 -1.61 118.68 121.26 1u8y s LEU 90 Ca 0.03 -1.28 -0.19 0.00 -1.03 0.00 0.00 54.13 51.66 1u8y s LEU 90 Cb -0.07 -1.90 0.09 0.00 0.03 0.00 0.00 46.19 44.34 1u8y s LEU 90 CO 0.00 -0.39 0.70 0.00 0.23 0.00 0.00 176.35 176.89 1u8y s VAL 92 N 2.74 5.48 0.17 0.00 1.01 -0.05 -0.62 120.40 129.13 1u8y s VAL 92 Ca 0.13 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1u8y s VAL 92 Cb -0.23 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1u8y s VAL 92 CO 0.07 0.60 0.10 0.72 0.00 0.00 0.00 175.10 176.59 1u8y s PHE 93 N -1.05 1.02 -0.16 5.22 -0.71 -0.31 -4.12 117.98 117.88 1u8y s PHE 93 Ca 0.16 -1.31 -0.06 0.00 -1.04 0.00 0.00 56.93 54.67 1u8y s PHE 93 Cb -0.12 -0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1u8y s PHE 93 CO 0.05 -0.59 0.06 0.45 -1.34 0.00 0.00 175.22 173.86 1u8y s SER 94 N -3.11 5.64 0.09 1.98 0.15 -1.26 -0.62 113.70 116.56 1u8y s SER 94 Ca 0.32 0.13 0.13 0.00 0.70 0.00 0.00 55.95 57.23 1u8y s SER 94 Cb 0.07 -1.90 0.56 0.00 -1.71 0.00 0.00 66.02 63.05 1u8y s SER 94 CO 0.07 0.23 1.39 2.30 1.20 0.00 0.00 173.24 178.44 1u8y n ILE 95 N 3.13 1.28 1.20 6.45 -5.35 -0.51 -1.76 119.36 123.80 1u8y n ILE 95 Ca -0.17 0.39 0.13 0.00 -0.27 0.00 0.00 62.75 62.82 1u8y n ILE 95 Cb 0.53 -1.28 0.27 0.00 -1.74 0.00 0.00 39.64 37.42 1u8y n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u8y n THR 96 N -1.72 0.00 -3.72 7.28 -2.24 -1.26 0.35 114.28 112.97 1u8y n THR 96 Ca 0.02 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 1u8y n THR 96 Cb 0.11 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 68.91 1u8y n THR 96 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1u8y s GLU 97 N -2.39 0.66 0.40 -0.78 2.12 -0.72 -4.42 118.70 113.57 1u8y s GLU 97 Ca 0.25 -0.80 0.12 0.00 0.36 0.00 0.00 54.97 54.90 1u8y s GLU 97 Cb 0.19 -1.94 0.93 0.00 0.26 0.00 0.00 34.13 33.57 1u8y s GLU 97 CO 0.49 -0.87 1.93 1.98 -0.54 0.00 0.00 175.26 178.26 1u8y h MET 98 N 8.17 0.53 -0.40 4.30 1.85 -1.85 -1.16 114.93 126.38 1u8y h MET 98 Ca -0.15 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 58.90 1u8y h MET 98 Cb 1.05 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.94 1u8y h MET 98 CO 0.42 0.35 0.22 0.93 -0.40 0.00 0.00 176.91 178.44 1u8y h GLU 99 N 0.54 0.54 -0.03 0.39 5.08 -1.94 -0.67 114.58 118.50 1u8y h GLU 99 Ca 0.35 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1u8y h GLU 99 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1u8y h GLU 99 CO -0.12 0.39 -0.56 0.66 -1.00 0.00 0.00 179.01 178.39 1u8y h SER 100 N 0.55 0.09 -0.23 1.42 4.64 -1.54 -1.87 113.55 116.61 1u8y h SER 100 Ca 0.14 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1u8y h SER 100 Cb 0.01 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1u8y h SER 100 CO -0.02 0.63 -0.27 0.15 -0.87 0.00 0.00 176.83 176.44 1u8y h PHE 101 N 0.06 0.72 -0.44 4.77 3.57 -1.15 -2.92 116.94 121.56 1u8y h PHE 101 Ca -0.00 -0.23 0.02 0.00 3.53 0.00 0.00 57.97 61.29 1u8y h PHE 101 Cb 1.01 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1u8y h PHE 101 CO 0.01 0.94 0.29 0.00 -2.23 0.00 0.00 178.31 177.32 1u8y h ALA 102 N 0.66 1.78 0.00 2.41 0.00 -0.98 -1.91 119.26 121.22 1u8y h ALA 102 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1u8y h ALA 102 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u8y h ALA 102 CO 0.07 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.45 1u8y h ALA 103 N 1.74 1.02 -0.12 0.00 0.00 -1.14 -3.21 119.26 117.55 1u8y h ALA 103 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1u8y h ALA 103 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u8y h ALA 103 CO -0.04 0.05 -0.09 1.79 0.00 0.00 0.00 179.25 180.96 1u8y h THR 104 N 0.00 1.13 -0.75 0.00 1.35 -1.30 -2.93 112.91 110.42 1u8y h THR 104 Ca -0.00 -0.58 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1u8y h THR 104 Cb 0.49 1.14 -0.05 0.00 -1.73 0.00 0.00 68.15 68.00 1u8y h THR 104 CO 0.01 0.18 0.47 0.00 -0.25 0.00 0.00 175.52 175.93 1u8y h ALA 105 N 1.75 0.99 -0.44 6.62 0.00 -1.73 -1.56 119.26 124.88 1u8y h ALA 105 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1u8y h ALA 105 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u8y h ALA 105 CO 0.01 0.25 -0.10 -0.44 0.00 0.00 0.00 179.25 178.98 1u8y h ASP 106 N 0.91 0.78 -0.39 0.00 3.45 -1.74 -1.07 116.42 118.37 1u8y h ASP 106 Ca 0.30 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 1u8y h ASP 106 Cb 0.03 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1u8y h ASP 106 CO -0.12 0.91 0.14 -0.26 -1.57 0.00 0.00 179.24 178.34 1u8y h PHE 107 N 0.72 0.60 -0.46 4.55 -1.00 -1.44 -1.06 116.94 118.85 1u8y h PHE 107 Ca 0.12 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.88 1u8y h PHE 107 Cb 0.59 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 1u8y h PHE 107 CO 0.03 0.55 0.26 -0.09 -1.61 0.00 0.00 178.31 177.45 1u8y h ARG 108 N 0.48 0.50 -0.66 1.51 9.65 -1.08 -0.93 114.38 123.85 1u8y h ARG 108 Ca 0.13 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1u8y h ARG 108 Cb 0.22 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 1u8y h ARG 108 CO -0.01 0.33 0.41 1.49 2.80 0.00 0.00 179.97 184.99 1u8y h GLU 109 N 0.52 0.89 -0.38 0.20 4.81 -0.89 -0.92 114.58 118.80 1u8y h GLU 109 Ca 0.19 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1u8y h GLU 109 Cb 0.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1u8y h GLU 109 CO -0.11 0.62 -0.17 0.37 -0.73 0.00 0.00 179.01 179.00 1u8y h GLN 110 N 0.90 0.79 -0.43 1.92 4.15 -0.90 -1.36 115.11 120.18 1u8y h GLN 110 Ca 0.24 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 59.33 1u8y h GLN 110 Cb -0.05 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1u8y h GLN 110 CO -0.05 0.96 0.28 0.82 -1.93 0.00 0.00 178.83 178.91 1u8y h ILE 111 N 0.59 1.10 -0.28 2.39 2.04 -0.94 -1.79 117.51 120.62 1u8y h ILE 111 Ca 0.09 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1u8y h ILE 111 Cb 0.71 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1u8y h ILE 111 CO 0.05 0.10 -0.21 -0.07 0.00 0.00 0.00 178.15 178.02 1u8y h LEU 112 N 0.57 0.53 -0.90 1.44 3.38 -1.09 0.99 115.31 120.23 1u8y h LEU 112 Ca 0.16 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1u8y h LEU 112 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1u8y h LEU 112 CO -0.04 0.74 -0.21 -0.09 0.09 0.00 0.00 178.44 178.93 1u8y h ARG 113 N 0.47 0.57 0.21 1.13 2.43 -0.92 0.40 114.38 118.68 1u8y h ARG 113 Ca 0.07 -0.21 -0.35 0.00 -0.81 0.00 0.00 59.98 58.69 1u8y h ARG 113 Cb 0.63 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1u8y h ARG 113 CO 0.04 0.75 -1.68 0.28 -1.51 0.00 0.00 179.97 177.85 1u8y h VAL 114 N 0.51 1.03 0.00 0.20 2.07 -1.09 -3.37 116.25 115.60 1u8y h VAL 114 Ca 0.08 -2.57 -0.10 0.00 0.82 0.00 0.00 66.70 64.94 1u8y h VAL 114 Cb 0.65 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 1u8y h VAL 114 CO 0.05 0.85 -1.01 0.11 0.02 0.00 0.00 177.57 177.58 1u8y h LYS 115 N 0.12 0.00 -6.44 1.57 1.79 -0.82 -3.47 116.57 109.32 1u8y h LYS 115 Ca -0.32 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.66 1u8y h LYS 115 Cb 2.12 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.72 1u8y h LYS 115 CO 0.21 0.22 -0.86 0.39 -1.08 0.00 0.00 179.45 178.33 1u8y n GLU 116 N -2.91 -3.74 -3.33 3.15 1.02 0.14 -4.96 120.64 110.01 1u8y n GLU 116 Ca -0.04 0.45 -0.08 0.00 -0.02 0.00 0.00 57.16 57.47 1u8y n GLU 116 Cb 0.71 -4.80 -0.07 0.00 -0.02 0.00 0.00 31.44 27.27 1u8y n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u8y s ASP 117 N -4.14 0.16 0.16 1.62 2.15 -1.26 -5.01 116.67 110.36 1u8y s ASP 117 Ca 0.16 0.16 0.19 0.00 0.43 0.00 0.00 52.55 53.48 1u8y s ASP 117 Cb -0.08 1.18 0.81 0.00 -0.30 0.00 0.00 42.92 44.52 1u8y s ASP 117 CO 0.88 -0.31 1.57 -0.62 -0.17 0.00 0.00 175.17 176.52 1u8y n GLU 118 N 5.37 0.11 -0.53 4.34 -0.58 -1.26 -2.49 120.64 125.60 1u8y n GLU 118 Ca -0.03 0.39 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 1u8y n GLU 118 Cb 0.50 -1.73 0.30 0.00 -0.57 0.00 0.00 31.44 29.94 1u8y n GLU 118 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u8y n ASN 119 N -1.94 4.33 -4.77 1.62 3.02 -1.26 -5.00 115.26 111.27 1u8y n ASN 119 Ca 0.02 -2.62 -0.41 0.00 -0.03 0.00 0.00 54.58 51.54 1u8y n ASN 119 Cb 0.17 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 1u8y n ASN 119 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1u8y n VAL 120 N 0.43 1.59 -1.68 2.41 3.14 -1.04 -4.84 118.33 118.35 1u8y n VAL 120 Ca 0.22 -0.40 -0.51 0.00 -2.96 0.00 0.00 64.34 60.70 1u8y n VAL 120 Cb 0.86 -1.99 -0.05 0.00 -1.06 0.00 0.00 33.84 31.60 1u8y n VAL 120 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1u8y n PRO 121 N 1.16 1.80 -3.64 1.45 -0.02 -1.26 -4.92 135.00 129.58 1u8y n PRO 121 Ca 0.04 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1u8y n PRO 121 Cb 0.38 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 1u8y n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u8y s PHE 122 N 2.95 -0.89 -0.03 6.00 5.36 -1.26 -1.31 117.98 128.81 1u8y s PHE 122 Ca 0.91 1.97 0.04 0.00 -0.96 0.00 0.00 56.93 58.88 1u8y s PHE 122 Cb -0.81 0.43 -0.00 0.00 -0.34 0.00 0.00 43.02 42.30 1u8y s PHE 122 CO 0.52 -0.44 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.19 1u8y s LEU 123 N 0.94 1.92 -0.23 6.12 1.02 -0.64 -4.33 118.68 123.48 1u8y s LEU 123 Ca -0.04 -0.28 -0.18 0.00 0.02 0.00 0.00 54.13 53.64 1u8y s LEU 123 Cb -0.05 -0.79 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 1u8y s LEU 123 CO -0.09 0.14 0.52 -0.22 0.02 0.00 0.00 176.35 176.72 1u8y s LEU 124 N -0.06 4.10 -0.19 1.79 2.96 -0.67 -1.20 118.68 125.41 1u8y s LEU 124 Ca -0.00 0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1u8y s LEU 124 Cb -0.09 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 43.92 1u8y s LEU 124 CO 0.01 -0.24 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.98 1u8y s VAL 125 N 1.98 2.67 -0.50 1.68 1.01 0.21 -1.68 120.40 125.76 1u8y s VAL 125 Ca 0.23 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1u8y s VAL 125 Cb -0.15 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.16 1u8y s VAL 125 CO 0.09 0.49 0.43 -0.83 0.00 0.00 0.00 175.10 175.28 1u8y s GLY 126 N 1.31 2.06 0.54 4.51 0.00 -0.34 -1.16 107.32 114.25 1u8y s GLY 126 Ca 0.04 -2.35 -0.01 0.00 0.00 0.00 0.00 44.72 42.40 1u8y s GLY 126 CO -0.08 1.12 0.79 0.21 0.00 0.00 0.00 173.10 175.15 1u8y s ASN 127 N 3.04 5.48 -0.47 1.64 2.47 0.20 -0.71 114.94 126.59 1u8y s ASN 127 Ca 0.04 0.29 -0.02 0.00 0.42 0.00 0.00 52.86 53.59 1u8y s ASN 127 Cb -0.27 -1.30 0.00 0.00 -1.45 0.00 0.00 41.25 38.23 1u8y s ASN 127 CO 0.04 -1.03 0.33 0.29 -3.72 0.00 0.00 177.10 173.01 1u8y n LYS 128 N -2.37 -2.31 0.19 0.43 5.02 -0.43 -1.43 118.16 117.26 1u8y n LYS 128 Ca 0.05 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 1u8y n LYS 128 Cb 0.59 -3.71 0.65 0.00 -0.02 0.00 0.00 35.03 32.53 1u8y n LYS 128 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1u8y h SER 129 N -0.75 0.00 0.61 4.39 4.64 -1.31 -1.14 113.55 119.98 1u8y h SER 129 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1u8y h SER 129 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1u8y h SER 129 CO 0.19 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.25 1u8y n ASP 130 N -2.44 0.00 -2.77 4.97 5.75 -1.26 -3.52 116.55 117.28 1u8y n ASP 130 Ca -0.00 0.31 -0.35 0.00 -0.01 0.00 0.00 54.79 54.74 1u8y n ASP 130 Cb 0.13 -0.42 0.02 0.00 -1.03 0.00 0.00 41.12 39.82 1u8y n ASP 130 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u8y n LEU 131 N -1.42 6.38 -0.23 -2.12 4.77 -0.43 -4.80 117.00 119.14 1u8y n LEU 131 Ca 0.07 -5.02 0.09 0.00 -0.03 0.00 0.00 56.01 51.12 1u8y n LEU 131 Cb 0.22 -0.83 0.35 0.00 -2.33 0.00 0.00 43.42 40.84 1u8y n LEU 131 CO 0.19 1.97 1.22 -0.08 -1.33 0.00 0.00 177.39 179.35 1u8y h GLU 132 N 2.87 0.73 0.00 3.23 4.57 -1.78 -0.88 114.58 123.32 1u8y h GLU 132 Ca 0.46 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1u8y h GLU 132 Cb 0.39 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1u8y h GLU 132 CO 1.19 0.48 0.00 -0.40 -1.18 0.00 0.00 179.01 179.10 1u8y n ASP 133 N -4.51 0.53 -0.37 1.04 3.85 -1.26 -1.70 116.55 114.12 1u8y n ASP 133 Ca 0.14 0.70 0.06 0.00 -0.71 0.00 0.00 54.79 54.98 1u8y n ASP 133 Cb 0.33 -0.79 0.14 0.00 -1.35 0.00 0.00 41.12 39.45 1u8y n ASP 133 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1u8y n LYS 134 N -2.16 2.45 -1.73 0.11 5.02 -0.34 -5.04 118.16 116.47 1u8y n LYS 134 Ca -0.00 -2.26 -0.42 0.00 -2.02 0.00 0.00 58.31 53.60 1u8y n LYS 134 Cb 0.09 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1u8y n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1u8y n ARG 135 N -0.57 2.67 -0.00 1.97 0.63 -0.69 -4.37 116.66 116.29 1u8y n ARG 135 Ca 0.12 0.95 0.01 0.00 -0.92 0.00 0.00 57.85 58.02 1u8y n ARG 135 Cb 0.56 -2.76 -0.01 0.00 0.45 0.00 0.00 32.46 30.70 1u8y n ARG 135 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1u8y n GLN 136 N 2.99 0.44 -4.18 -0.14 6.02 0.16 -4.94 117.38 117.73 1u8y n GLN 136 Ca 0.12 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.76 1u8y n GLN 136 Cb 0.35 -1.02 -0.14 0.00 1.02 0.00 0.00 30.24 30.45 1u8y n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1u8y s VAL 137 N -2.07 3.15 0.53 5.09 1.01 -0.80 -4.73 120.40 122.57 1u8y s VAL 137 Ca -0.01 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1u8y s VAL 137 Cb 0.01 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1u8y s VAL 137 CO 0.08 0.47 1.05 -0.94 0.00 0.00 0.00 175.10 175.75 1u8y s SER 138 N 1.11 6.12 0.22 3.32 1.04 -1.26 -4.94 113.70 119.31 1u8y s SER 138 Ca 0.01 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 1u8y s SER 138 Cb -0.15 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.60 1u8y s SER 138 CO -0.02 -0.94 1.82 0.58 0.98 0.00 0.00 173.24 175.66 1u8y h VAL 139 N 1.09 1.25 -0.37 5.02 2.07 -1.99 -2.49 116.25 120.84 1u8y h VAL 139 Ca -0.48 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.40 1u8y h VAL 139 Cb 1.22 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1u8y h VAL 139 CO 0.58 0.30 0.11 -0.08 0.02 0.00 0.00 177.57 178.50 1u8y h GLU 140 N 1.17 0.25 -0.01 1.57 4.81 -1.99 0.90 114.58 121.28 1u8y h GLU 140 Ca 0.29 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1u8y h GLU 140 Cb 0.09 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1u8y h GLU 140 CO -0.04 0.16 -0.61 1.05 -0.73 0.00 0.00 179.01 178.85 1u8y h GLU 141 N 0.25 0.05 -0.23 1.92 4.11 -1.91 -0.58 114.58 118.20 1u8y h GLU 141 Ca 0.17 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 59.38 1u8y h GLU 141 Cb 0.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1u8y h GLU 141 CO -0.19 0.64 -0.57 0.00 0.07 0.00 0.00 179.01 178.97 1u8y h ALA 142 N 1.35 0.38 -0.70 1.06 0.00 -1.04 -2.10 119.26 118.22 1u8y h ALA 142 Ca -0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1u8y h ALA 142 Cb 1.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1u8y h ALA 142 CO 0.08 0.61 0.22 0.87 0.00 0.00 0.00 179.25 181.03 1u8y h LYS 143 N 0.54 1.08 -0.79 0.00 1.57 -0.69 -1.00 116.57 117.29 1u8y h LYS 143 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1u8y h LYS 143 Cb 1.18 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1u8y h LYS 143 CO 0.12 0.93 0.49 -0.91 -0.57 0.00 0.00 179.45 179.52 1u8y h ASN 144 N 1.02 0.93 -0.37 0.86 2.35 -1.01 -0.07 115.58 119.30 1u8y h ASN 144 Ca 0.22 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1u8y h ASN 144 Cb 0.30 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1u8y h ASN 144 CO -0.01 0.70 0.05 -0.09 -1.65 0.00 0.00 177.43 176.43 1u8y h ARG 145 N 1.07 0.62 -0.94 0.81 2.43 -1.00 -1.56 114.38 115.81 1u8y h ARG 145 Ca 0.28 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1u8y h ARG 145 Cb -0.07 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 1u8y h ARG 145 CO -0.06 0.70 0.62 0.00 -1.51 0.00 0.00 179.97 179.72 1u8y h ALA 146 N 0.90 1.21 -0.77 2.80 0.00 -0.80 -1.49 119.26 121.11 1u8y h ALA 146 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1u8y h ALA 146 Cb 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1u8y h ALA 146 CO 0.01 0.57 0.30 -0.44 0.00 0.00 0.00 179.25 179.69 1u8y h ASP 147 N 1.26 1.08 -0.58 0.00 3.32 -0.73 0.17 116.42 120.93 1u8y h ASP 147 Ca 0.35 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1u8y h ASP 147 Cb -0.11 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.13 1u8y h ASP 147 CO -0.09 0.96 0.23 1.56 -1.72 0.00 0.00 179.24 180.18 1u8y h GLN 148 N 1.13 0.91 -0.00 3.56 4.20 -0.62 -1.74 115.11 122.54 1u8y h GLN 148 Ca 0.26 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1u8y h GLN 148 Cb 0.23 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1u8y h GLN 148 CO -0.02 0.76 -0.15 0.91 -0.67 0.00 0.00 178.83 179.66 1u8y n TRP 149 N -4.30 0.00 -3.52 2.96 8.01 -0.62 -4.94 117.44 115.03 1u8y n TRP 149 Ca 0.05 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.02 1u8y n TRP 149 Cb 0.18 -0.18 0.08 0.00 -2.01 0.00 0.00 31.31 29.38 1u8y n TRP 149 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1u8y n ASN 150 N -0.93 -5.48 -4.39 -0.99 4.05 0.40 -5.01 115.26 102.91 1u8y n ASN 150 Ca 0.13 -0.53 -0.19 0.00 0.45 0.00 0.00 54.58 54.44 1u8y n ASN 150 Cb 0.30 -4.88 -0.10 0.00 1.23 0.00 0.00 39.78 36.32 1u8y n ASN 150 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1u8y s VAL 151 N -3.31 1.18 0.22 3.44 -7.23 -0.12 -5.02 120.40 109.56 1u8y s VAL 151 Ca 0.47 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 1u8y s VAL 151 Cb -0.21 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.12 1u8y s VAL 151 CO 0.70 -0.19 0.55 0.20 -0.31 0.00 0.00 175.10 176.06 1u8y s ASN 152 N -3.40 6.64 -0.16 4.85 0.01 -1.26 -4.19 114.94 117.44 1u8y s ASN 152 Ca 0.32 0.94 -0.03 0.00 -0.71 0.00 0.00 52.86 53.38 1u8y s ASN 152 Cb 0.07 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 1u8y s ASN 152 CO 0.12 -0.06 -0.05 -0.47 -1.51 0.00 0.00 177.10 175.13 1u8y s TYR 153 N -1.79 2.98 -0.03 2.20 5.04 -1.26 -1.67 117.35 122.81 1u8y s TYR 153 Ca 0.47 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 1u8y s TYR 153 Cb -0.11 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.26 1u8y s TYR 153 CO 0.21 -0.11 -0.06 0.08 -1.34 0.00 0.00 175.55 174.33 1u8y s VAL 154 N 0.47 0.59 -0.14 3.14 1.01 -0.68 -5.00 120.40 119.80 1u8y s VAL 154 Ca -0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1u8y s VAL 154 Cb -0.15 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1u8y s VAL 154 CO 0.03 0.22 0.22 -1.61 0.00 0.00 0.00 175.10 173.96 1u8y s GLU 155 N 0.58 3.94 0.30 2.72 2.02 -1.26 -1.20 118.70 125.81 1u8y s GLU 155 Ca -0.08 -0.02 0.03 0.00 0.02 0.00 0.00 54.97 54.92 1u8y s GLU 155 Cb -0.11 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.73 1u8y s GLU 155 CO 0.00 0.48 0.07 0.95 0.02 0.00 0.00 175.26 176.79 1u8y s THR 156 N -0.23 0.98 -0.19 3.63 -4.23 0.11 -4.59 115.64 111.12 1u8y s THR 156 Ca 0.15 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1u8y s THR 156 Cb -0.13 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.06 1u8y s THR 156 CO 0.04 0.00 0.25 -0.55 -0.54 0.00 0.00 174.62 173.82 1u8y s SER 157 N -3.43 0.94 0.37 3.99 0.15 -0.58 -1.02 113.70 114.11 1u8y s SER 157 Ca 0.37 0.06 0.13 0.00 0.70 0.00 0.00 55.95 57.21 1u8y s SER 157 Cb 0.08 0.57 0.71 0.00 -1.71 0.00 0.00 66.02 65.67 1u8y s SER 157 CO 0.15 -0.30 1.81 0.00 1.20 0.00 0.00 173.24 176.10 1u8y h ALA 158 N 8.29 1.32 -0.02 5.45 0.00 -1.90 0.16 119.26 132.56 1u8y h ALA 158 Ca -0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1u8y h ALA 158 Cb 1.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1u8y h ALA 158 CO 0.24 0.48 -0.01 -0.22 0.00 0.00 0.00 179.25 179.74 1u8y h LYS 159 N 0.00 0.04 -0.00 0.00 3.64 -1.94 -3.30 116.57 115.00 1u8y h LYS 159 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1u8y h LYS 159 Cb 0.70 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1u8y h LYS 159 CO 0.05 0.46 -0.56 0.25 -2.27 0.00 0.00 179.45 177.39 1u8y n THR 160 N -4.85 0.00 -0.89 1.00 -2.24 -1.21 -4.93 114.28 101.16 1u8y n THR 160 Ca -0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1u8y n THR 160 Cb 0.24 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1u8y n THR 160 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1u8y n ARG 161 N -1.09 0.00 -1.69 -0.78 0.63 0.50 -5.00 116.66 109.24 1u8y n ARG 161 Ca 0.07 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.50 1u8y n ARG 161 Cb 0.36 -2.39 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 1u8y n ARG 161 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u8y n ALA 162 N 0.66 0.65 -1.52 5.13 0.00 -0.92 -2.28 120.51 122.23 1u8y n ALA 162 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 1u8y n ALA 162 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 1u8y n ALA 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u8y n ASN 163 N 6.35 -3.98 0.05 0.00 3.02 -1.26 -1.53 115.26 117.91 1u8y n ASN 163 Ca 0.23 0.35 -0.13 0.00 -0.03 0.00 0.00 54.58 55.00 1u8y n ASN 163 Cb 0.26 -3.63 -0.09 0.00 -0.61 0.00 0.00 39.78 35.71 1u8y n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1u8y h VAL 164 N 0.00 1.08 -0.61 2.41 2.07 -1.76 -2.19 116.25 117.25 1u8y h VAL 164 Ca -0.31 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 1u8y h VAL 164 Cb 1.00 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1u8y h VAL 164 CO 0.44 0.20 0.19 0.44 0.02 0.00 0.00 177.57 178.86 1u8y h ASP 165 N -0.54 0.86 -0.26 0.57 3.32 -1.90 -3.00 116.42 115.47 1u8y h ASP 165 Ca -0.02 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 56.94 1u8y h ASP 165 Cb 0.43 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1u8y h ASP 165 CO 0.02 0.81 -0.06 0.50 -1.72 0.00 0.00 179.24 178.80 1u8y h LYS 166 N 0.90 0.01 -0.64 3.56 3.64 -1.92 0.10 116.57 122.22 1u8y h LYS 166 Ca 0.20 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1u8y h LYS 166 Cb 0.26 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1u8y h LYS 166 CO -0.01 0.00 0.17 -0.39 -2.27 0.00 0.00 179.45 176.95 1u8y h VAL 167 N 0.01 1.25 -0.15 2.00 -1.51 -1.26 0.17 116.25 116.76 1u8y h VAL 167 Ca 0.13 -0.89 -0.09 0.00 -1.23 0.00 0.00 66.70 64.62 1u8y h VAL 167 Cb 0.19 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1u8y h VAL 167 CO -0.27 0.34 -0.26 -0.26 -1.23 0.00 0.00 177.57 175.89 1u8y h PHE 168 N 0.95 0.55 -0.28 5.19 0.04 -1.42 -1.90 116.94 120.08 1u8y h PHE 168 Ca 0.21 -0.19 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 1u8y h PHE 168 Cb 0.32 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1u8y h PHE 168 CO 0.02 0.89 -0.45 0.74 -0.60 0.00 0.00 178.31 178.91 1u8y h PHE 169 N 0.06 0.88 -0.75 -0.55 -1.00 -0.91 -1.52 116.94 113.15 1u8y h PHE 169 Ca 0.01 -0.28 -0.04 0.00 2.81 0.00 0.00 57.97 60.47 1u8y h PHE 169 Cb 0.84 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 1u8y h PHE 169 CO 0.10 1.04 0.32 -0.44 -1.61 0.00 0.00 178.31 177.72 1u8y h ASP 170 N 0.58 1.02 -0.53 2.17 5.19 -0.69 -1.02 116.42 123.14 1u8y h ASP 170 Ca 0.04 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.23 1u8y h ASP 170 Cb 1.01 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 1u8y h ASP 170 CO 0.10 0.90 0.10 0.25 -3.12 0.00 0.00 179.24 177.46 1u8y h LEU 171 N 1.08 0.84 -1.19 1.55 5.85 -1.17 -2.31 115.31 119.95 1u8y h LEU 171 Ca 0.25 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1u8y h LEU 171 Cb 0.18 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1u8y h LEU 171 CO -0.03 0.88 0.36 0.24 -0.34 0.00 0.00 178.44 179.56 1u8y h MET 172 N 0.76 0.92 -0.19 1.25 2.86 -0.88 -0.51 114.93 119.14 1u8y h MET 172 Ca 0.16 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1u8y h MET 172 Cb 0.39 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1u8y h MET 172 CO 0.01 0.68 -0.21 0.00 1.06 0.00 0.00 176.91 178.45 1u8y h ARG 173 N 0.93 0.33 -0.33 1.72 3.08 -0.85 0.11 114.38 119.36 1u8y h ARG 173 Ca 0.24 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 1u8y h ARG 173 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1u8y h ARG 173 CO -0.04 0.53 -0.33 0.93 -1.07 0.00 0.00 179.97 179.99 1u8y h GLU 174 N 0.30 0.82 -0.61 0.04 4.39 -0.73 -2.27 114.58 116.51 1u8y h GLU 174 Ca 0.05 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 1u8y h GLU 174 Cb 0.54 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1u8y h GLU 174 CO 0.04 1.06 0.23 0.82 -1.16 0.00 0.00 179.01 180.01 1u8y h ILE 175 N 0.60 1.23 -0.94 3.13 2.04 -0.66 -2.76 117.51 120.15 1u8y h ILE 175 Ca 0.05 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1u8y h ILE 175 Cb 0.91 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1u8y h ILE 175 CO 0.08 0.29 0.63 -0.09 0.00 0.00 0.00 178.15 179.06 1u8y h ARG 176 N 0.85 1.23 -0.04 2.37 2.43 -0.67 -0.09 114.38 120.46 1u8y h ARG 176 Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1u8y h ARG 176 Cb 0.22 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1u8y h ARG 176 CO -0.01 0.81 0.00 0.00 -1.51 0.00 0.00 179.97 179.26 1u8y n ALA 177 N -2.39 2.51 -0.77 2.80 0.00 -0.87 -5.10 120.51 116.69 1u8y n ALA 177 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u8y n ALA 177 Cb 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1u8y n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04